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13-(4,5-Dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-24-[5-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-23-(dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione
respinomycin D · 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 14-[(6-deoxy-3-C-methyl-2-O-methyl-α-D-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,12,15-trihydroxy-13-methoxy-6,12-dimethyl-5-[[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-α-mannopyranosyl)-3-C-methyl-3-nitro-β-ribo-h...
![Molekülstruktur von 13-(4,5-Dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-24-[5-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-23-(dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione](/img/chemical/192526.png)
Identifikatoren & physikalische Daten
| CAS No. | 151233-07-7 |
|---|---|
| Summenformel | C51H70N2O22 |
| Durchschnittliche Molmasse | 1.063,1 g/mol |
| Monoisotopische Masse | 1.062,44202187 g/mol |
| SMILES | COC1C(OC2OC(C)C(O)C(C)(O)C2OC)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([N+](=O)[O-])C(OC5OC(C)C(O)C(C)(O)C5OC)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)O |
| InChIKey | QYNAQIXCSIMIOO-UHFFFAOYSA-N |
| PubChem CID | 192526 |
| ChEMBL | CHEMBL527520 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 326 |
| H-Brücken-Donoren | 7 |
| H-Brücken-Akzeptoren | 23 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 75 |
| Formalladung | 0 |
| Komplexität | 2.140 |